BAS 02167321
TL;DR: BAS 02167321 (CAS 307538-93-8) is a chemical compound with molecular formula C17H18BrNO5S2 and molecular weight 458.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(5Z)-5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
Also Known As: BAS 02167321, (Z)-6-(5-(3-bromo-4-hydroxy-5-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)hexanoic acid, 6-[(5Z)-5-(3-bromo-4-hydroxy-5-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid, 6-[(5Z)-5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
| Molecular Formula | C17H18BrNO5S2 |
|---|---|
| Molecular Weight | 458.98 g/mol |
| LogP | 4.0095 |
| Topological Polar Surface Area | 87.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 458.981 |
| Heavy Atoms | 26 |
| Complexity | 765.76526 |
Chemical Identifiers
| CAS Number | 307538-93-8 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)CCCCCC(=O)O)Br)O |
Product Overview
BAS 02167321 (CAS 307538-93-8), with molecular formula C17H18BrNO5S2 and molecular weight 458.98 g/mol. IUPAC: 6-[(5Z)-5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid.
Chemical Property Profile of BAS 02167321
Property Insights of BAS 02167321
The XLogP value of 4.0095 indicates that BAS 02167321 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.07 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02167321. Following Lipinski's Rule of Five, BAS 02167321 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 02167321?
The CAS number of BAS 02167321 is 307538-93-8.
What is the molecular formula of BAS 02167321?
The molecular formula of BAS 02167321 is C17H18BrNO5S2.
What is the molecular weight of BAS 02167321?
The molecular weight of BAS 02167321 is 458.98 g/mol.
Where can I buy BAS 02167321?
You can request a quote for BAS 02167321 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02167321?
Yes, KEHONG BIO provides custom synthesis services for BAS 02167321 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.